4-ethyl-3-methylaniline hydrochloride

• ChemBase ID: 246141
• Molecular Formular: C9H14ClN
• Molecular Mass: 171.66716
• Monoisotopic Mass: 171.08147713
• SMILES: c1(c(ccc(c1)N)CC)C.Cl
• Canonical SMILES: CCc1ccc(cc1C)N.Cl
• InChI: InChI=1S/C9H13N.ClH/c1-3-8-4-5-9(10)6-7(8)2;/h4-6H,3,10H2,1-2H3;1H
• InChIKey: QQMFHLXLCOGDOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-ethyl-3-methylaniline hydrochloride
• IUPAC Traditional name: 4-ethyl-3-methylaniline hydrochloride
• Synonyms: 4-ethyl-3-methylaniline hydrochloride

Database IDs

• MDL Number: MFCD23144229
• PubChem SID: 164302051
• PubChem CID: 71757892

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.4644072
• LogD (pH = 7.4): 2.613453
• Log P: 2.6157312
• Molar Refractivity: 45.4418 cm^3
• Polarizability: 16.874111 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 2.392

Product Information

• Purity: 95%